Special Issue Call: "In Silico Study of Active Pharmaceutical Ingredients"

Dear Researchers,

As the Turkish Computational and Theoretical Chemistry journal, we are pleased to call for papers for our special issue titled "In Silico Study of Active Pharmaceutical Ingredients". This special issue focuses on the use of in silico methods (molecular modeling, computational screening, molecular dynamics simulations, quantum chemistry calculations, etc.) in drug discovery and development processes.

In this context, we expect original research articles, reviews and short notes on the following topics (but not limited to):

Computer-aided discovery of new drug candidates

Modeling and analysis of protein-ligand interactions

Virtual screening and drug design approaches

Molecular dynamics and free energy calculations

Drug molecule studies with quantum chemistry methods

In silico studies supported by artificial intelligence and machine learning

Submitted studies are expected to provide original contributions and bring new perspectives to the literature. All articles will be subject to a double-blind peer-review process and will be meticulously evaluated in terms of scientific quality and originality.

Important Dates:
Article Submission Start Date: [10.05.2025]
Last Submission Date: [15.06.2025]
Publication Date: [30.06.2025]

You can upload your articles from [journal article submission system link] We would like to remind you that the special issue option must be selected during the application.

We invite all interested researchers to contribute to this special issue and look forward to your work.

Best regards,
Assoc. Prof. Dr. Sultan ERKAN
Special Issue Editor
Turkish Computational and Theoretical Chemistry